Synthesis and characterization of novel 1,3-benzodioxole tagged noscapine based ionic liquids with in silico and in vitro cytotoxicity analysis on HeLa cells

pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures

Douglas E. V. Pires, Tom L. Blundell, David B. Ascher · Journal of Medicinal Chemistry · 2015 · 5.4K citations · Full text

Pharmacy, Pharmacokinetics, Pharmacology +17

WHAT IF: A molecular modeling and drug design program

Gert Vriend · Journal of Molecular Graphics · 1990 · 3.5K citations

Pharmacy, Bioinformatics, Medicinal Chemistry +14

SwissDock, a protein-small molecule docking web service based on EADock DSS

Aurélien Grosdidier, Vincent Zoete, Olivier Michielin · Nucleic Acids Research · 2011 · 1.9K citations · Full text

Life Sciences, Bioinformatics, Molecular Biology +17

HexServer: an FFT-based protein docking server powered by graphics processors

Gary Macindoe, Lazaros Mavridis, Vishwesh Venkatraman et al. · Nucleic Acids Research · 2010 · 678 citations · Full text

Life Sciences, Biochemistry, Bioinformatics +14

New generation ionic liquids: cations derived from amino acids

Guo‐Hong Tao, Ling He, Ning Sun et al. · Chemical Communications · 2005 · 344 citations

Natural Sciences, Biochemistry, Chemistry +6